Geometry & MOs

Info

ID:	308885
PubChem CID:	126531771
Reduced:	BrOF2N2C7H7 (1)
Stoich.:	ABC2D2E7F7 (1)
Weight, g/mol:	463.192072
ΔH_f, kcal/mol:	-97.62
Dipole, Da:	3.22
IP(EA), eV:	-10.54(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(3E)-3-[4-(2-fluorophenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]-N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

C1=C(C=NC(=N1)C(CF)(CF)O)Br

DOS

IR

Vibrations